2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde

C18H15NO3 — CID 39226788

IUPAC2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
SMILESCOc1cc(-c2ccc3ncccc3c2)cc(C=O)c1OC
InChIInChI=1S/C18H15NO3/c1-21-17-10-14(9-15(11-20)18(17)22-2)12-5-6-16-13(8-12)4-3-7-19-16/h3-11H,1-2H3
InChIKeyGAYWZZSJUUJUTC-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.73
Rot. Bonds4

About 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde

2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde (PubChem CID 39226788) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde.

Molecular Properties

Compound Name2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
PubChem CID39226788
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
SMILESCOc1cc(-c2ccc3ncccc3c2)cc(C=O)c1OC
InChIInChI=1S/C18H15NO3/c1-21-17-10-14(9-15(11-20)18(17)22-2)12-5-6-16-13(8-12)4-3-7-19-16/h3-11H,1-2H3
InChIKeyGAYWZZSJUUJUTC-UHFFFAOYSA-N
XLogP3.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde
CID 39225175
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
CID 10426212
7-quinolin-6-yl-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779212
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
2-methoxy-4-pyridin-4-ylbenzaldehyde
CID 164891675
(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-6-ylmethanone
CID 122182218
6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline
CID 58028335
6-(3-methylphenyl)quinoline
CID 4185278
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline
CID 162674614

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde?
The IUPAC name of 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde (CID 39226788) is 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde.
What is the SMILES notation for 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde?
The canonical SMILES for 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde is COc1cc(-c2ccc3ncccc3c2)cc(C=O)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde?
The InChIKey is GAYWZZSJUUJUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-17-10-14(9-15(11-20)18(17)22-2)12-5-6-16-13(8-12)4-3-7-19-16/h3-11H,1-2H3.
What are the key properties of 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde?
2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde has a molecular weight of 293.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde is sourced from PubChem (CID 39226788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).